Catalyst Hub | First database in catalyst field. Here, you can download files of cif or POSCAR of crystal structures freely.

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ba2La6Mn8O24	167	R-3c	-R 3 2"c	Hexagonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mg10Al8Fe2Si12O48	1	P1	P 1	Triclinic	2.71020 eV	CIF \| POSCAR \| LAMMPS	Materials Project
La4Mn5Co1Pb2O18	1	P1	P 1	Triclinic	0.04090 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca16V14Zn2Bi2O56	9	Cc	C -2yc	Monoclinic	3.45280 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na3Ca18Fe1P14O56	1	P1	P 1	Triclinic	2.22600 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe2P4H16O20	14	P21/c	-P 2ybc	Monoclinic	4.34790 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca4Al4Fe2Si6H2O26	11	P21/m	-P 2yb	Monoclinic	2.54320 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co1P4H10O16	2	P-1	-P 1	Triclinic	3.20390 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mg7V1Fe1Mo15O56	1	P1	P 1	Triclinic	2.05680 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na6Mg8Cr2Si16O44F4	2	P-1	-P 1	Triclinic	1.16430 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe3H4O2F8	12	C2/m	-C 2y	Monoclinic	0.95750 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cs2V2Zn2P12O36	12	C2/m	-C 2y	Monoclinic	0.00440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe4P8H8O36	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr5Nd5Cu1Ni4O20	1	P1	P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca20Ti16Nb2Fe2O60	2	P-1	-P 1	Triclinic	2.04990 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cu6Mo4H4O20	14	P21/c	-P 2ybc	Monoclinic	0.22650 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mn4H16S8O48	62	Pnma	-P 2ac 2n	Orthorhombic	0.14750 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni2H32C4S6N12O14	11	P21/m	-P 2yb	Monoclinic	2.03630 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K3Nb4Mo4P12O48	1	P1	P 1	Triclinic	0.61820 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ba4La8Mn11Sn1O36	1	P1	P 1	Triclinic	0.01770 eV	CIF \| POSCAR \| LAMMPS	Materials Project